2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

C16H25N3O2 — CID 82311782

IUPAC2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCCN(CCO)Cc1nc2cc(C)c(C)cc2n1CCO
InChIInChI=1S/C16H25N3O2/c1-4-18(5-7-20)11-16-17-14-9-12(2)13(3)10-15(14)19(16)6-8-21/h9-10,20-21H,4-8,11H2,1-3H3
InChIKeyYRCJIEYPMPLMCH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (PubChem CID 82311782) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
PubChem CID82311782
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCCN(CCO)Cc1nc2cc(C)c(C)cc2n1CCO
InChIInChI=1S/C16H25N3O2/c1-4-18(5-7-20)11-16-17-14-9-12(2)13(3)10-15(14)19(16)6-8-21/h9-10,20-21H,4-8,11H2,1-3H3
InChIKeyYRCJIEYPMPLMCH-UHFFFAOYSA-N
XLogP1.46
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311786
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
4-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82311942
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (CID 82311782) is 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is CCN(CCO)Cc1nc2cc(C)c(C)cc2n1CCO.
What is the InChIKey of 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The InChIKey is YRCJIEYPMPLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-18(5-7-20)11-16-17-14-9-12(2)13(3)10-15(14)19(16)6-8-21/h9-10,20-21H,4-8,11H2,1-3H3.
What are the key properties of 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).